CID 119011258

4-fluoro-5-iodo-2-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6FIO2
SMILES
COC1=CC(=C(C=C1C=O)I)F
InChI
InChI=1S/C8H6FIO2/c1-12-8-3-6(9)7(10)2-5(8)4-11/h2-4H,1H3
InChIKey
AGEZCXMRMQABFN-UHFFFAOYSA-N
Compound name
4-fluoro-5-iodo-2-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.93967 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.946946 138.4
[M+Na]+ 302.928888 141.8
[M-H]- 278.932394 134.7
[M+NH4]+ 297.973493 154.4
[M+K]+ 318.902828 145.8
[M+H-H2O]+ 262.936930 128.8
[M+HCOO]- 324.937871 157.5
[M+CH3COO]- 338.953521 189.0
[M+Na-2H]- 300.914336 132.1
[M]+ 279.93912142 137.6
[M]- 279.94021858 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.